2-(2,6-dimethoxyphenoxymethyl)oxirane

• ChemBase ID: 263682
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: O1C(C1)COc1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1OCC1OC1)OC
• InChI: InChI=1S/C11H14O4/c1-12-9-4-3-5-10(13-2)11(9)15-7-8-6-14-8/h3-5,8H,6-7H2,1-2H3
• InChIKey: GTPYUQMUVPCWKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethoxyphenoxymethyl)oxirane
• IUPAC Traditional name: 2-(2,6-dimethoxyphenoxymethyl)oxirane
• Synonyms: 2-(2,6-dimethoxyphenoxymethyl)oxirane

Database IDs

• MDL Number: MFCD09740100
• PubChem SID: 164319592
• PubChem CID: 227989

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3414986
• LogD (pH = 7.4): 1.3414986
• Log P: 1.3414986
• Molar Refractivity: 54.1923 cm^3
• Polarizability: 21.556807 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.009

Product Information

• Purity: 95%